NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7879 8.3544 109.7384 45.2705 0.0000 172.8031 2 S 4.2489 8.4709 114.4917 56.6726 61.4530 171.6174 3 K 4.5053 9.1297 130.5957 55.4589 35.7780 174.9185 4 T 4.7716 8.2425 120.6707 62.2601 69.8606 174.0059 5 I 4.4363 8.6755 129.2329 60.3178 38.7720 175.2294 6 F 4.5552 9.2833 127.6003 55.7144 40.9206 175.2222 7 V 4.6654 8.4387 125.3671 61.5921 33.0655 174.5401 8 I 4.9826 8.6743 129.7438 59.4119 39.8984 175.0556 9 V 4.9491 8.1442 127.7908 59.0267 32.7529 174.0085 10 P 5.3330 0.0000 0.0000 62.4972 32.4094 176.9697 11 T 4.5144 8.4617 110.1513 61.2740 69.9968 173.2247 12 N 4.5891 7.4682 119.2516 51.4358 40.9168 174.2951 13 E 3.9617 8.6061 119.8074 59.3572 29.5030 178.3217 14 E 3.9915 8.1770 118.2131 59.6213 29.7186 179.1963 15 Q 4.0789 8.0397 117.3084 58.9238 28.9251 178.6944 16 V 3.6373 8.0474 119.0137 66.1578 31.5543 177.7808 17 A 4.3242 8.6120 121.9919 54.6571 18.2269 179.3599 18 F 4.0622 8.5109 119.0500 61.2952 39.4545 177.4761 19 L 4.2921 8.6241 119.1839 57.9883 41.3167 179.3697 20 E 3.8307 8.8441 117.4743 58.9157 29.4225 179.1413 21 A 3.9507 8.1602 122.4571 54.9927 18.5922 179.5887 22 L 3.9009 7.8356 118.0903 58.8418 40.1603 179.2177 23 A 4.0841 7.7478 120.9230 54.9143 18.0964 179.4608 24 K 4.2096 7.5564 116.0245 58.2712 32.3857 176.8268 25 Q 3.9925 7.9479 118.2084 56.2874 28.0070 176.8226 26 D 4.4373 8.4400 124.2071 56.2015 41.2716 178.8060 27 E 3.9554 7.8518 116.1760 58.4742 30.5807 178.3590 28 L 3.0947 7.4905 120.3903 56.8312 41.5220 178.3746 29 N 4.6414 7.1418 112.0375 54.2653 36.2663 174.7863 30 F 4.8961 7.0288 115.9813 57.2410 40.5941 175.0519 31 D 4.9523 8.3755 120.1404 52.6682 42.7053 174.8593 32 W 4.7180 8.9154 123.1875 56.5123 29.4421 176.5847 33 Q 4.4681 9.2072 124.9972 58.2052 28.9129 176.4335 34 N 5.0475 8.0961 113.5998 50.0870 40.3392 172.1400 35 P 4.3405 0.0000 0.0000 62.1437 31.4830 175.7672 36 P 4.7304 0.0000 0.0000 62.6845 28.7348 175.7305 37 T 4.4793 7.9310 119.4228 63.5973 70.5754 173.9440 38 E 4.6594 7.9192 120.7243 53.2600 31.2484 173.6202 39 P 4.3794 0.0000 0.0000 63.8854 32.0199 176.7175 40 G 3.9526 9.2213 110.6538 44.9777 0.0000 172.9728 41 Q 4.6630 7.2541 118.0877 53.3886 30.0775 173.7857 42 P 4.7112 0.0000 0.0000 62.7754 32.0942 176.3067 43 V 4.1447 9.1582 125.9114 60.9280 33.5364 175.2286 44 V 4.4583 8.4328 123.7790 61.6948 33.2230 174.4768 45 I 4.3667 8.3881 129.2241 59.3809 40.0480 175.2376 46 L 4.7082 9.0322 129.6161 53.8734 41.6048 175.9940 47 I 4.7219 8.3594 118.2426 57.7698 40.6472 173.9917 48 P 4.6850 0.0000 0.0000 62.6209 31.9213 177.5390 49 S 4.3916 8.4119 114.3440 60.4317 62.8361 175.0920 50 D 4.6652 7.9994 118.4676 55.3213 41.2590 176.5188 51 M 4.8511 8.1039 118.2571 54.5007 33.5649 177.8102 52 V 3.4721 7.9141 121.1451 65.0641 31.5765 178.1341 53 E 4.0456 8.2423 118.9692 58.4785 29.3230 178.9787 54 W 4.0499 8.1851 128.0726 60.4356 30.9697 177.7043 55 F 3.6767 8.4520 120.5180 60.9821 38.7582 176.4470 56 L 3.8617 8.0596 120.2079 58.6691 41.9050 179.0043 57 E 3.9951 8.3211 118.1378 59.3061 28.8320 179.0838 58 M 3.7903 7.7652 118.3687 58.6899 32.1814 178.4024 59 L 3.8676 8.3654 119.4608 57.7015 41.5421 179.6521 60 K 4.0653 8.2545 117.5948 59.2174 32.0050 178.1969 61 A 4.1201 7.8487 121.5267 55.0590 18.3518 178.7240 62 K 4.0342 7.3810 112.9241 56.7558 32.6259 177.0768 63 G 3.7322 8.0688 106.6014 46.3539 0.0000 173.6581 64 I 4.0427 7.6740 119.6796 59.4197 38.1979 174.7603 65 P 4.4239 0.0000 0.0000 62.9275 31.2305 174.8683 66 F 5.1810 7.7171 120.2476 55.7289 41.8223 174.7569 67 T 4.1700 8.9357 115.3891 62.2940 72.1876 173.8091 68 V 3.7133 7.8505 127.1225 62.3310 32.5840 174.7618 69 Y 4.9669 8.9574 124.0602 56.4973 42.1275 174.7810 70 V 4.9394 8.3060 113.8203 59.2492 36.3180 174.4274 71 E 4.0007 8.1123 124.7369 56.2972 29.9878 176.8437 72 E 4.1483 8.8724 124.2595 56.8384 29.4039 176.9391 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.47 4.25 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.13 4.51 0.00 1.93 1.66 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.53 7.81 4 T 8.24 4.77 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 5 I 8.68 4.44 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.97 0.00 0.00 6 F 9.28 4.56 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.44 4.67 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.18 0.00 0.00 8 I 8.67 4.98 1.99 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 1.09 0.00 0.00 9 V 8.14 4.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.98 0.00 0.00 10 P 0.00 5.33 0.00 2.21 2.29 0.00 4.07 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.91 0.00 11 T 8.46 4.51 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 12 N 7.47 4.59 0.00 2.90 2.95 0.00 0.00 6.01 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.61 3.96 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 14 E 8.18 3.99 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 15 Q 8.04 4.08 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 16 V 8.05 3.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.07 0.00 0.00 17 A 8.61 4.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.51 4.06 0.00 3.24 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.62 4.29 0.00 2.09 2.03 1.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.84 3.83 0.00 2.05 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 21 A 8.16 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.84 3.90 0.00 1.90 1.71 1.40 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.75 4.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.56 4.21 0.00 1.83 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.54 7.81 25 Q 7.95 3.99 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 26 D 8.44 4.44 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.85 3.96 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 28 L 7.49 3.09 0.00 1.04 0.13 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.14 4.64 0.00 2.89 2.86 0.00 0.00 6.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.03 4.90 0.00 3.11 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.38 4.95 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.92 4.72 0.00 3.22 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.21 4.47 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 34 N 8.10 5.05 0.00 2.84 2.80 0.00 0.00 6.12 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.34 0.00 2.19 2.11 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 36 P 0.00 4.73 0.00 2.34 2.38 0.00 3.56 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.16 0.00 37 T 7.93 4.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 38 E 7.92 4.66 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 39 P 0.00 4.38 0.00 2.23 2.13 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 40 G 9.22 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.25 4.66 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.76 0.00 42 P 0.00 4.71 0.00 2.12 2.13 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 V 9.16 4.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.37 0.00 0.00 44 V 8.43 4.46 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.95 0.00 0.00 45 I 8.39 4.37 1.38 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.11 0.02 0.00 0.00 46 L 9.03 4.71 0.00 1.67 1.63 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.36 4.72 1.07 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 -0.53 0.00 0.00 48 P 0.00 4.69 0.00 2.28 2.26 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 49 S 8.41 4.39 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.00 4.67 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.10 4.85 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 52 V 7.91 3.47 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.26 0.00 0.00 53 E 8.24 4.05 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 54 W 8.19 4.05 0.00 3.40 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.45 3.68 0.00 2.87 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.06 3.86 0.00 2.30 1.78 1.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.32 4.00 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 58 M 7.77 3.79 0.00 1.73 1.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.70 0.00 59 L 8.37 3.87 0.00 1.46 1.97 0.29 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.25 4.07 0.00 2.02 1.93 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.32 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.95 7.81 61 A 7.85 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.38 4.03 0.00 1.31 1.63 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 0.56 7.81 63 G 8.07 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.67 4.04 2.02 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 1.10 0.00 0.00 65 P 0.00 4.42 0.00 2.08 2.19 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.96 0.00 66 F 7.72 5.18 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.94 4.17 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 68 V 7.85 3.71 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.17 0.00 0.00 69 Y 8.96 4.97 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.31 4.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 71 E 8.11 4.00 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 72 E 8.87 4.15 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00